Chemical ID: 6178512

c1ccc2c(c1)c(=O)[nH]s2
Chemical ID:
6178512
Name [?]:
9-thia-8-azabicyclo[4.3.0]nona-2,4,10-trien-7-one
SMILES [?]:
c1ccc2c(c1)c(=O)[nH]s2
InChi [?]:
InChI=1/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,9,8,10/rA:10nCCCCCCCONS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5NOS
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.965
Area:287.801
Solvation:-1.23003
Coulombic:-20.7185
Bond Count [?]
All:11
Single:7
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:151.187
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.67
LogP (Chemaxon):1.6

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Descriptor Annotations

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